SCHEMBL17484351

SCHEMBL17484351

C=C(C)C(=O)Oc1ccc(CCc2ccc(-c3ccc(CCO)cc3CC)c(CC)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
PTGS2 P35354 2/20 0.41
THRB P10828 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
PPARA Q07869 1/20 0.38
CYP4F2 P78329 4/20 0.37
CYP4A11 Q02928 4/20 0.37
AKT1 P31749 1/20 0.36
VDR P11473 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
THRA P10827 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17484350 0.93 PTGS2 (0.37) ELANEPTGS2THRBKMT2AATM
SCHEMBL17484349 0.89 PTGS2 (0.35) ELANEPTGS2THRBKMT2AATM
SCHEMBL17484463 0.88 ELANE (0.35) ELANEPTGS2KMT2AATMPPARA
SCHEMBL17477145 0.87 RARB (0.36) ELANEPTGS2THRBKMT2AATM
SCHEMBL8266870 0.85 ELANE (0.53) ELANEPTGS2THRBKMT2AATM
SCHEMBL17791331 0.84 ELANE (0.44) ELANETHRBKMT2AATMAKT1
SCHEMBL17484392 0.83 TSHR (0.40) THRBCYP4F2CYP4A11AKT1THRA
SCHEMBL17484386 0.83 ELANE (0.34) ELANETHRBKMT2AATMAKT1
SCHEMBL17070454 0.82 TSHR (0.36) PTGS2THRBCYP4F2CYP4A11AKT1
SCHEMBL20412535 0.82 ELANE (0.33) ELANETHRBKMT2AATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174955-B1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2019-10-23 EP disclosed
US-10294426-B2 Liquid crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2019-05-21 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
WO-2016015803-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed